Information card for entry 7040022

Structure parameters

• Formula: C20 H31 N5 Ni O4
• Calculated formula: C20 H31 N5 Ni O4
• Title of publication: Nucleophilic reactivity and electrocatalytic reduction of halogenated organic compounds by nickel o-phenylenedioxamidate complexes.
• Authors of publication: Das, Siva Prasad; Ganguly, Rakesh; Li, Yongxin; Soo, Han Sen
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 34
• Pages of publication: 13556 - 13564
• a: 19.1442 ± 0.0014 Å
• b: 10.1337 ± 0.0007 Å
• c: 11.8238 ± 0.0008 Å
• α: 90°
• β: 102.976 ± 0.002°
• γ: 90°
• Cell volume: 2235.3 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1209
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1212
• Weighted residual factors for all reflections included in the refinement: 0.1519
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No